methyl 5-[6-(aminocarbonylamino)hexanoylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[6-(aminocarbonylamino)hexanoylamino]-2-fluoranyl-benzoate Openeye Name: methyl 2-fluoro-5-(6-ureidohexanoylamino)benzoate CAS Name: 5-[[6-(carbamoylamino)-1-oxohexyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[6-(carbamoylamino)hexanoylamino]-2-fluorobenzoate Traditional Name: 2-fluoro-5-(6-ureidohexanoylamino)benzoic acid methyl ester Formula: C15H20FN3O4 MolecularWeight: 325.335403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CCCCCNC(=O)N)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CCCCCNC(=O)N)F

InChI

InChI=1S/C15H20FN3O4/c1-23-14(21)11-9-10(6-7-12(11)16)19-13(20)5-3-2-4-8-18-15(17)22/h6-7,9H,2-5,8H2,1H3,(H,19,20)(H3,17,18,22)